4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol

Name: 4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
Brand: ChemScene
Availability: InStock
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CAS No. 368-54-7
Cat. No. CS-0042919
Purity≥97%
MDL No.MFCD00112978

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol|CS-0042919

Structure of 368-54-7

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Description

4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol features a strategically positioned hydroxyl group and trifluoromethyl substituent that enhance solubility and electronic modulation. The thiol moiety enables direct conjugation in synthetic sequences, while the pyrimidine core provides robust stability under standard conditions. This compound serves as a key scaffold for bioactive heterocycles and functional materials.

Application

4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and metal-catalyzed coupling reactions. Its thiol functionality facilitates conjugation and derivatization, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The compound exhibits bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns in API development.

General Information

CAS No. 368-54-7
Cat. No. CS-0042919
Purity ≥97%
MDL No. MFCD00112978
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃F₃N₂OS
Molecular Weight None
Synonym(s) 4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine
SMILES SC1=NC(C(F)(F)F)=CC(O)=N1

Computational Chemistry Data

TPSA 46.01
LogP 1.4897
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 0

Safety Information

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Signal Word : N/A	UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Mercaptan

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol

CAS No. 368-54-7

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